AC1MRDYE
ethyl 2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: Oprea1_056057|ethyl {[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate|ethyl 2-((4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate|ethyl 2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate|ethyl 2-[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-1,4,6,7,8-pentahydroqu inolylthio]acetate
| Molecular Formula | C22H23BrN2O3S |
|---|---|
| Molecular Weight | 474.06128 g/mol |
| LogP | 4.81058 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.06128 |
| Monoisotopic Mass | 474.06128 |
| Heavy Atoms | 29 |
| Complexity | 941.7992 |
Chemical Identifiers
| CAS Number | 370076-85-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C#N |
Product Overview
AC1MRDYE (CAS 370076-85-0), with molecular formula C22H23BrN2O3S and molecular weight 474.06128 g/mol. IUPAC: ethyl 2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
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